We present local density approximation augmented by the Hubbard-type correction calculations of high-temperature elastic properties of bridgmanite with composition (Mg(1−x)Fe x )SiO3 for 0≤×≤0.125. Results of elastic moduli and acoustic velocities for the Mg end-member (x=0) agree very well with the latest high-pressure and high-temperature experimental measurements. In the iron-bearing system,...

An electro-Fe2+-activated peracetic acid (EC/Fe2+/PAA) process was established for organic dye removal in water. The operation factors such as the PAA dosage, Fe2+ amount, current density, and pH were investigated on methylene blue (MB) synergistic EC/Fe2+/PAA system. Efficient MB decolorization (98.97% 0.06992 min−1) achieved within 30 min under 5.4 mmol L−1 PAA, μmol Fe2+, 15 mA cm−2 intensit...

The interaction of Fe2+ ion with Pyrazole was theoretically studied by Gussian 03, software at HF/(LanL2DZ+6-31G) and HF/ (LanL2DZ+6-31G (d)) levels in gas phase and solution. In this study acompartion between optimized structures of Pyrazole molecule in aspect of thermodynamicparameters such as enthalpy (H°), Gibbs free energy (G°) and entropy (S°) in presence of metallic ion(Fe2+), was perfor...

kinetics of radical polymerizations of waterborne alkyd/acrylic hybrid resin via batch mini-emulsion technique was studied using redox initiators (tbhp/fe2+/edta/asac  and  tbhp/fe2+/edta/sfs) at relatively low temperatures and thermal initiators (bpo, kps and aibn) at higher temperatures to seek the most suitable initiator system. at the end of all reactions the unreacted monomer content was r...

Ozonation is one of the most effective and efficient advanced oxidation processes (AOPs) has shown great potential in treatment industrial effluent wastewater. In present work, ozone-Fenton process for % COD color removal together with electrical energy per order (EE/O) determination distillery wastewater (DIW) was established. The developed by combining ozone (O3) Fenton (Fe2+/H2O2) process. (...

Department of Chemistry, Texas A & M Un E-mail: [email protected] Department of Chemistry, Tamkang Univer † Electronic supplementary informati spectroscopic, additional electrochemic crystallographic data (CIF) from the s [Ni2–Fe2] , [Ni2–Fe] , and computation crystallographic data for the complexes [ deposited in the Cambridge Crystallog (CCDC 1045461), [Ni2–Fe2] 2+ (CCDC 104 For ESI and ...

The combination of microbial reduction and further microbial oxidation of iron was applied to the treatment of food-processing wastewater and recovery of ammonium. Fe2+ ions were formed by ironreducing bacteria under anaerobic conditions. Ammonium was recovered by co-precipitation with negatively charged iron hydroxides produced during oxidation of Fe2+ by iron-oxidizing bacteria under microaer...

The effect of arbidol and its structural analogues on the process of lipid peroxidation in phospholipid liposomes induced by Fe2+ has been investigated. It was shown that the antioxidant efficacy of arbidol and its derivatives is lower than that of alpha-tocopherol by two or three times. It was suggested that the mechanism antioxidant action of the arbidol and its structural analogues consists ...

[Fe2(micro-O)(phen)4(H2O)2]4+ (1) (Fig. 1, phen = 1,10-phenanthroline) equilibrates with [Fe2(micro-O)(phen)4(H2O)(OH)]3+ (2) and [Fe2(micro-O)(phen)4(OH)2]2+ (3) in aqueous solution in the presence of excess phen, where no phen-releasing equilibria from 1, 2 and 3 exist. 1 quantitatively oxidizes ascorbic acid (H2A) to dehydroascorbic acid (A) in the pH range 3.00-5.50 in the presence of exces...